4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C20H14Cl2N6 — CID 86655121

IUPAC4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1cc(Cl)nc(NCc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)n1
InChIInChI=1S/C20H14Cl2N6/c1-12-8-17(22)26-20(25-12)24-10-16-19(14-4-2-13(9-23)3-5-14)27-18-7-6-15(21)11-28(16)18/h2-8,11H,10H2,1H3,(H,24,25,26)
InChIKeyDUPQFTBGNAMVDK-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.89
Rot. Bonds4

About 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 86655121) has the molecular formula C20H14Cl2N6 and a molecular weight of 409.28 g/mol. Its IUPAC name is 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID86655121
Molecular FormulaC20H14Cl2N6
Molecular Weight409.28 g/mol
Exact Mass408.07
IUPAC Name4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1cc(Cl)nc(NCc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)n1
InChIInChI=1S/C20H14Cl2N6/c1-12-8-17(22)26-20(25-12)24-10-16-19(14-4-2-13(9-23)3-5-14)27-18-7-6-15(21)11-28(16)18/h2-8,11H,10H2,1H3,(H,24,25,26)
InChIKeyDUPQFTBGNAMVDK-UHFFFAOYSA-N
XLogP4.89
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 86655121) is 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is Cc1cc(Cl)nc(NCc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)n1.
What is the InChIKey of 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is DUPQFTBGNAMVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6/c1-12-8-17(22)26-20(25-12)24-10-16-19(14-4-2-13(9-23)3-5-14)27-18-7-6-15(21)11-28(16)18/h2-8,11H,10H2,1H3,(H,24,25,26).
What are the key properties of 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 409.28 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 86655121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).